(1,1-dioxothiolan-3-yl)methanol (CED0170850)

Record Information
Version1.0
Creation Date2026-08-22 20:06:39 UTC
Update Date2026-08-22 20:06:39 UTC
SynCED IDCED0170850
Secondary Accession Numbers
  • CHEM220871
Identification
Common Name(1,1-dioxothiolan-3-yl)methanol
ClassSmall Molecule
Description
(1,1-dioxothiolan-3-yl)methanol belongs to the thiolanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C5H10O3S and an average molecular weight of 150.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H10O3S
Average Molecular Mass150.200 g/mol
Monoisotopic Mass150.035 g/mol
CAS Registry Number17236-20-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C5H10O3S/c6-3-5-1-2-9(7,8)4-5/h5-6H,1-4H2
InChI KeyPJKMZHYNDJRIHG-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2500.0 Log mg/kg [1400:4400]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-galactosidaseD3ZUM4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.206 Low confidence
Statistical Significance
4.60e-04
Supporting Reference Compounds
2
E-value
3.58106
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.206 Low confidence
Statistical Significance
0.004
Supporting Reference Compounds
25
E-value
30.9061
Click to view 3D structureLactase/phlorizin hydrolaseQ02401Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.181
Applicability Domain
0.206 Low confidence
Statistical Significance
6.50e-04
Supporting Reference Compounds
7
E-value
5.0602
Alpha-glucosidase MAL62 structureClick to view 3D structureAlpha-glucosidase MAL62P07265Saccharomyces cerevisiaePredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.182 Low confidence
Statistical Significance
6.50e-04
Supporting Reference Compounds
2
E-value
5.0602
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
0.0029
Supporting Reference Compounds
1
E-value
22.2649
Click to view 3D structureAlpha-galactosidase CQ9UUZ4Aspergillus nigerPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
7.10e-04
Supporting Reference Compounds
1
E-value
5.52729
Galactocerebrosidase structureClick to view 3D structureGalactocerebrosidaseP54818Mus musculusPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.175 Low confidence
Statistical Significance
4.80e-04
Supporting Reference Compounds
1
E-value
3.73676
Click to view 3D structureCeramide glucosyltransferaseO88693Mus musculusPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.206 Low confidence
Statistical Significance
0.015
Supporting Reference Compounds
14
E-value
116.462
Tribbles homolog 1 structureClick to view 3D structureTribbles homolog 1Q96RU8HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.174 Low confidence
Statistical Significance
0.0212
Supporting Reference Compounds
1
E-value
164.885
Lysosomal alpha-glucosidase structureClick to view 3D structureLysosomal alpha-glucosidaseP10253HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.182 Low confidence
Statistical Significance
0.0072
Supporting Reference Compounds
21
E-value
55.9736
Click to view 3D structureBeta-galactosidaseQ58D55Bos taurusPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.206 Low confidence
Statistical Significance
0.0067
Supporting Reference Compounds
18
E-value
52.2368
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.182 Low confidence
Statistical Significance
0.0042
Supporting Reference Compounds
21
E-value
32.3853
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.176 Low confidence
Statistical Significance
0.0299
Supporting Reference Compounds
30
E-value
232.847
Sucrase-isomaltase, intestinal structureClick to view 3D structureSucrase-isomaltase, intestinalP14410HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.182 Low confidence
Statistical Significance
0.0056
Supporting Reference Compounds
14
E-value
43.2842
Click to view 3D structureGlycogen debranching enzymeP35573HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.182 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
8
E-value
9.18621
Click to view 3D structureGlucoamylase, intracellular sporulation-specificP08019Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.182 Low confidence
Statistical Significance
7.80e-04
Supporting Reference Compounds
2
E-value
6.07224
Click to view 3D structureNeutral alpha-glucosidase CQ8TET4HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
6.90e-04
Supporting Reference Compounds
1
E-value
5.3716
Click to view 3D structureAlpha-galactosidase AD3ZJF9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
6.90e-04
Supporting Reference Compounds
1
E-value
5.3716
Click to view 3D structureNeutral alpha-glucosidase CQ8BVW0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.206 Low confidence
Statistical Significance
8.10e-04
Supporting Reference Compounds
4
E-value
6.30579
Lysosomal acid glucosylceramidase structureClick to view 3D structureLysosomal acid glucosylceramidaseP04062HumansPredicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.176 Low confidence
Statistical Significance
0.1929
Supporting Reference Compounds
35
E-value
1501.48
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.174 Low confidence
Statistical Significance
0.9731
Supporting Reference Compounds
668
E-value
7575.35
Bromodomain-containing protein 4 structureClick to view 3D structureBromodomain-containing protein 4O60885HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.174 Low confidence
Statistical Significance
0.9236
Supporting Reference Compounds
237
E-value
7190.54
Click to view 3D structureGlycogen debranching enzymeP35574Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.206 Low confidence
Statistical Significance
0.001
Supporting Reference Compounds
5
E-value
8.01847
Beta-hexosaminidase structureClick to view 3D structureBeta-hexosaminidaseQ9HZK0Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.163 Low confidence
Statistical Significance
0.0029
Supporting Reference Compounds
1
E-value
22.5763
Click to view 3D structureAlpha-galactosidaseQ42656Coffea arabicaPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.182 Low confidence
Statistical Significance
0.0073
Supporting Reference Compounds
12
E-value
56.7521
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available